My Russian Adventures Christopher A. Marks 22 February, 2006
Acknowledgements Vladimir Palyulin Cyndi Schick John Quagliano Peter Quagliano Sergei Kucheryavski chernogolovka.net Laurel Marks Casper Dahl Lars Petersen Kurt Varmuza Oxana Rodionova Katya Pomerantseva Alex Pomerantsev Andrey & Marina Bogomolov Google Earth
The Marks Isotherm Why Chemometrics?
WSC1 Kostroma Cost $250, including: Moscow Kostroma Lodging Meals Excursion Airfare $700 Visa $150 English! ACS Boston (2 days) Cost $850 Lodging > $200 Meals > $100 Excursion? Airfare > $500 No Visa ? Why Russia?
Modern Methods of Data Analysis Kostroma, February 11 - 15, 2002
WSC1 Participants 30 total attendees
Lectures • Kim Esbensen • Introduction to Chemometrics • Multivariate Statistical Process Control • Paul Geladi • Introduction to Multivariate Calibration • Multivariate Image Analysis • Oxana Rodionova • Simple Interval Calculation (SIC) • Alexey Pomerantsev • Non-linear Regression Analysis
Fort James Ipatiev Monastery
On the plane going home, a significant event occurred. I was seated next to a man going home with his newly adopted five-year-old daughter (and the rest of his family). I learned a lot from him and met another family, also on their way home with a new daughter. This was my first personal experience with international adoptions from Russia.
Modern Methods of Data Analysis Belokurikha, March 2 - 6, 2003
Getting to Belokurikha Friday, 28 February • 07:00 Leave home for bus station – Charlottesville, VA • 08:30 Bus departs for Dulles International Airport • 11:00 Arrival at IAD – Washington, DC • 16:00 Begin Security Check in etc. • 18:00 Flight to JFK – New York • 19:30 Flight to Sheremetyevo – Moscow
Getting to Belokurikha(Continued) Saturday, 1 March • 12:30 Arrive SVO – Moscow • 14:00 Bus departs for Rechnoi Vokzal • 15:00 Metro to Paveletskaya Vokzal • 16:00 Check in for flight, purchase train ticket • 17:00 Metro back to city center • 18:00 Dinner and Museum with Nelly Shevlyakova • 20:30 Metro back to Paveletskaya Vokzal • 21:00 Train to Domodedovo • 21:45 Arrive Domodedovo • 23:50 Flight to Barnaul
Getting to Belokurikha(Continued) Sunday, 2 March • 07:00 Arrive Barnaul • 08:00 Breakfast • 09:00 Bus Departs for Belokurikha • 13:00 Arrive in Belokurikha! (02:00 EST, ~42 hours after leaving home)
WSC2 Participants 18 total and 7 repeat attendees
Invited Lectures Kim Esbensen (Alborg University) Relationships between sampling, analysis and chemometrics Proper validation - the most important thing in calibration Introduction to the AMT-technique Paul Geladi (Umea University) NIR in industrial applications Introduction to 3-way methods Pentti Minkkinen (Lappeenranta University) Practical applications of sampling theory Environmental applications of chemometrics Vladimir Palyulin (Moscow State University) QSAR/QSPR methodology: past, present and future Oxana Rodionova (Institute of Chemical Physics RCS) Simple Interval Calculation - Theory and Applications Alexei Pomerantsev (Institute of Chemical Physics RCS) Successive Bayesian Estimation Oleg Startsev (Altai State University) Feasibility of chemometric methods application for composite material science Contributed Talks Emese Vago & Sindor Kemeny (Budapest University of Technology and Economics) Pair-wise t-Test and analysis of variances Denis Filistovich (Altai State University) Dynamical mechanical analysis of polymer composite materials Katya Pomerantseva (Institute of Gene Biology) The problem of genetic regulation and the structure of experimental data Sergei Kucheryavski (Altai State University) Fractal analysis of the deformation structure of porous pseudoalloys Electrical Impedance Tomography Natalia Petrova (Institute of Non-Metallic Materials) Frost resistance materials for machines and mechanisms used in the northern region Andrey Bogomolov (ACD) Mutual peak matching in a series of HPLC/DAD data analysis Christopher Marks (University of Virginia) Chemometric investigation of polarization curves Elena Shabanova (Geochemical Institute) Using multivariate calibrations for direct atomic emission analysis
Adoption News At home, Laurel and I decided to attempt to adopt a girl, about five years old, from Russia and began looking for an agency. We were very encouraged by the support we received from everyone that I discussed our plans with at WSC2. We also received several offers of help. We found an agency in the summer of 2003 and had the paperwork done by December. We waited anxiously to hear about a child. We left for WSC3 without a referral, but with some hope that we could learn about and meet a child during our trip.
Modern Methods of Data Analysis Pushkinsky Gory, February 16 - 20, 2004
WSC3 Participants 36 total and 14 repeat attendees
Invited Lectures • Kim Esbensen • Reliable sampling, - chemical analysis and - chemometric data analysis • Tormod Naes • Measuring, monitoring and optimising food processes • Oxana Rodionova • Introduction to Simple Interval Calculation (SIC) method and its application for representative subset selection • Kurt Varmuza • Global and local chemometric models of spectra-structure relationships • Paul Geladi • Near infrared spectroscopy and calibration in industrial applications • Vladimir Palyulin • The joint application of 3D-QSAR and molecular modelling in the design of new ligands of AMPA and NMDA receptors • Satu-Pia Reinikainen • Wavelets: useful tool for compressing spectral data • Alexey Pomerantsev • Multivariate Statistical Process Optimization
Talks Rolf Ergon Informative score-loading biplot for monitoring of process with two response variables Andrey Bogomolov Software for interactive curve resolution using SIMPLISMA Igor Aristov The "Electronic nose": a multivariate approach Alisa Rudnitskaya Application of chemometrics for data processing of the electronic tongue Juan A. Fernandez Pierna Hyperspectral infrared technique: the use of Support Vector Machines (SVM) in large data sets Sergei Kucheryavski The analysis of fracture surfaces of porous metal materials using AMT and fractal geometry methods Alexander Bondarenko Inverse problem in potentiodynamic electrochemical impedance spectroscopy Rustem Sunyaev Chemometric analysis of benzine Leon Rusinov Adaptation of calibration models while transferring within series of IR-spectrometers Elena Sulima Features of practical realization of transferring of calibration models from a master - device on working NIR - analyzers, for the base wheat indexes analysis Jaap van der Weerd FTIR imaging and multivariate analysis of drug release from controlled release pharmaceutical formulations David Kubicka Application of pattern recognition methods in analysis of complex hydrocarbon mixtures to improve the quality of kinetic data Taghi Khayamian Application of wavelet neural networks in multivariate data analysis Posters Lars Petersen Critical survey of mass reduction devices in practical sampling (industry and laboratory) Casper K. Dahl Image analytical sampling - prospects and limitations Natalya Petrova Peculiarities of rubber-oil interaction under the conditions of cold climate Andriy Kupyna Acoustic Chemometrics for determination of skim milk in water - preliminary results Christopher A. Marks Chemometric investigation of polarization curves: further adventures Rimma Safieva Chemometric analysis of oils Yevgeny Slyusarenko System analysis and chemometrics of modern problems in common chemistry Vladimir Zernov A data-driven classification of solvents used in extraction of organic compounds Application of multivariate statistical methods to classification of metal ions according to their complexing properties Elena Belitskaja Multivariate methods for data processing in organic geochemistry Elena Shabanova Range of relative bias as a criterion of calibration quality Modeling of data structure for multivariate calibration in atomic emission spectrometry Yury P. Turov Adaptive mathematical models of composition in analytical chemistry and earth sciences Alexey Semenchenko Explanatory data analyses of fish-breeding in Siberian lakes. First forays
Alexandr Sergeyevich Pushkin 1799 – 1837 Tsarskoye Selo (Pushkinsky Gory) St. Petersburg Moscow First Modern Russian Writer Edgar Allan Poe 1809 – 1849 Richmond, Virginia University of Virginia Baltimore First Truly American Writer Pushkin and Poe Both: • Influenced by Lord Byron • Problems with Authority • Died Tragically Young
This is a Test – Are you a Chemometrician?